Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 5/20 | 0.32 |
| ▸ | MMP3 | P08254 | 4/20 | 0.32 |
| ▸ | MMP9 | P14780 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29157272 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MAPTPTGS1SMN1; SMN2L3MBTL1 | |
| SCHEMBL31078956 | 0.81 | DPP4 (0.46) | ALDH1A1MAPTPTGS1OPRM1ACE | |
| SCHEMBL29376144 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MAPTPTGS1OPRM1 | |
| SCHEMBL31237035 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MAPTPTGS1OPRM1MMP1 | |
| SCHEMBL31344450 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MAPTPTGS1OPRM1MMP1 | |
| SCHEMBL31413983 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MAPTPTGS1OPRM1MMP1 | |
| N-Acetyl Penicillamine SCHEMBL521764 | 0.78 | MAPT (0.43) | ALDH1A1MAPTPTGS1SMN1; SMN2 | |
| N-Acetyl Penicillamine SCHEMBL34351 | 0.78 | MAPT (0.43) | ALDH1A1MAPTPTGS1SMN1; SMN2 | |
| N-Acetyl Penicillamine SCHEMBL4468919 | 0.78 | MAPT (0.43) | ALDH1A1MAPTPTGS1SMN1; SMN2 | |
| SCHEMBL30350403 | 0.77 | SLC7A5 (0.48) | ALDH1A1MAPTPTGS1OPRM1MMP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117586160-A | Sulfur-containing prodrug compound and medical application thereof | 中国药科大学 | 2024-02-23 | — | — | CN | disclosed |